Text Search
Structure Search

4-bromo-2-fluoro-5-methylphenylboronic acid

4-bromo-2-fluoro-5-methylphenylboronic acid

CAS: 677777-57-0

Formula: C7H7BBrFO2

SMILES: CC1=C(Br)C=C(F)C(=C1)B(O)O

IUPAC: (4-bromo-2-fluoro-5-methylphenyl)boronic acid

InChI: InChI=1S/C7H7BBrFO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,11-12H,1H3

Composition: C (36.11%), H (3.03%), B (4.64%), Br (34.32%), F (8.16%), O (13.74%)

Molar Mass: 232.84

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.970651
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey IZFBYUHHOMKXAR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.48
Topological Polar Surface Area 40.46
Polarizability 17.97
Ring Count 1
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 677777-57-0 $37.26-$161.46$37.26$62.10$161.46
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 677777-57-0 $69.36-$225.72$69.36$100.88$225.72
Request Quote